Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Adenosine
Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Adenine
Nc1ncnc2[nH]cnc12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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Nc1nc[n+]([O-])c2[nH]cnc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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NC12N=C[N+]([O-])=C3[NH+]=C[N-]C31O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.41
0.41
glutathionation
Probability 0.31
0.31
glutathionation
Probability 0.24
0.24
protein
Probability 0.16
0.16
protein
Probability 0.15
0.15
Showing 5 of 8 metabolites
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